USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 213 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 264 THR OG1 : rot -24:sc= 1.46 USER MOD Set 1.2: A 276 LYS NZ :NH3+ -165:sc= 1.51 (180deg=-0.578) USER MOD Single : A 258 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 259 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 262 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 263 MET CE :methyl -112:sc= -0.857 (180deg=-3.59!) USER MOD Single : A 265 THR OG1 : rot -57:sc= 0.587 USER MOD Single : A 266 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 267 SER OG : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot -55:sc= 1.15 USER MOD Single : A 270 SER OG : rot -73:sc= 1.21 USER MOD Single : A 273 SER OG : rot 132:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 249 4.871 -8.982 -0.495 1.00 2.03 N ATOM 2 CA ALA A 249 3.957 -7.845 -0.781 1.00 1.79 C ATOM 3 C ALA A 249 2.499 -8.243 -0.558 1.00 1.42 C ATOM 4 O ALA A 249 2.144 -9.415 -0.677 1.00 1.27 O ATOM 5 CB ALA A 249 4.154 -7.340 -2.203 1.00 1.71 C ATOM 0 HA ALA A 249 4.201 -7.039 -0.089 1.00 1.79 H new ATOM 0 HB1 ALA A 249 3.475 -6.508 -2.391 1.00 1.71 H new ATOM 0 HB2 ALA A 249 5.183 -7.005 -2.331 1.00 1.71 H new ATOM 0 HB3 ALA A 249 3.945 -8.145 -2.907 1.00 1.71 H new ATOM 13 N PRO A 250 1.640 -7.266 -0.219 1.00 1.44 N ATOM 14 CA PRO A 250 0.207 -7.481 0.041 1.00 1.36 C ATOM 15 C PRO A 250 -0.606 -7.783 -1.227 1.00 1.00 C ATOM 16 O PRO A 250 -1.639 -7.152 -1.469 1.00 1.14 O ATOM 17 CB PRO A 250 -0.243 -6.140 0.647 1.00 1.73 C ATOM 18 CG PRO A 250 1.010 -5.413 0.978 1.00 1.99 C ATOM 19 CD PRO A 250 1.990 -5.855 -0.052 1.00 1.76 C ATOM 0 HA PRO A 250 0.047 -8.347 0.683 1.00 1.36 H new ATOM 0 HB2 PRO A 250 -0.850 -5.574 -0.060 1.00 1.73 H new ATOM 0 HB3 PRO A 250 -0.853 -6.296 1.537 1.00 1.73 H new ATOM 0 HG2 PRO A 250 0.861 -4.334 0.945 1.00 1.99 H new ATOM 0 HG3 PRO A 250 1.355 -5.657 1.983 1.00 1.99 H new ATOM 0 HD2 PRO A 250 1.885 -5.296 -0.982 1.00 1.76 H new ATOM 0 HD3 PRO A 250 3.019 -5.727 0.283 1.00 1.76 H new ATOM 27 N ALA A 251 -0.133 -8.755 -2.018 1.00 0.76 N ATOM 28 CA ALA A 251 -0.788 -9.178 -3.266 1.00 0.75 C ATOM 29 C ALA A 251 -0.831 -8.062 -4.324 1.00 0.62 C ATOM 30 O ALA A 251 -0.178 -8.152 -5.363 1.00 0.69 O ATOM 31 CB ALA A 251 -2.186 -9.704 -2.976 1.00 1.12 C ATOM 0 H ALA A 251 0.720 -9.274 -1.810 1.00 0.76 H new ATOM 0 HA ALA A 251 -0.184 -9.981 -3.688 1.00 0.75 H new ATOM 0 HB1 ALA A 251 -2.659 -10.013 -3.908 1.00 1.12 H new ATOM 0 HB2 ALA A 251 -2.121 -10.558 -2.301 1.00 1.12 H new ATOM 0 HB3 ALA A 251 -2.781 -8.918 -2.511 1.00 1.12 H new ATOM 37 N ARG A 252 -1.584 -7.002 -4.052 1.00 0.55 N ATOM 38 CA ARG A 252 -1.690 -5.878 -4.978 1.00 0.50 C ATOM 39 C ARG A 252 -0.607 -4.832 -4.728 1.00 0.39 C ATOM 40 O ARG A 252 -0.898 -3.673 -4.427 1.00 0.37 O ATOM 41 CB ARG A 252 -3.079 -5.249 -4.911 1.00 0.62 C ATOM 42 CG ARG A 252 -4.127 -6.071 -5.637 1.00 0.78 C ATOM 43 CD ARG A 252 -3.664 -6.418 -7.046 1.00 0.84 C ATOM 44 NE ARG A 252 -4.639 -7.244 -7.757 1.00 1.04 N ATOM 45 CZ ARG A 252 -4.463 -7.718 -8.973 1.00 1.19 C ATOM 46 NH1 ARG A 252 -3.362 -7.464 -9.631 1.00 1.25 N ATOM 47 NH2 ARG A 252 -5.389 -8.456 -9.529 1.00 1.39 N ATOM 0 H ARG A 252 -2.131 -6.896 -3.197 1.00 0.55 H new ATOM 0 HA ARG A 252 -1.537 -6.269 -5.984 1.00 0.50 H new ATOM 0 HB2 ARG A 252 -3.372 -5.134 -3.867 1.00 0.62 H new ATOM 0 HB3 ARG A 252 -3.042 -4.249 -5.344 1.00 0.62 H new ATOM 0 HG2 ARG A 252 -4.328 -6.986 -5.080 1.00 0.78 H new ATOM 0 HG3 ARG A 252 -5.063 -5.515 -5.684 1.00 0.78 H new ATOM 0 HD2 ARG A 252 -3.490 -5.500 -7.607 1.00 0.84 H new ATOM 0 HD3 ARG A 252 -2.711 -6.945 -6.995 1.00 0.84 H new ATOM 0 HE ARG A 252 -5.512 -7.468 -7.280 1.00 1.04 H new ATOM 0 HH11 ARG A 252 -2.632 -6.895 -9.203 1.00 1.25 H new ATOM 0 HH12 ARG A 252 -3.233 -7.835 -10.572 1.00 1.25 H new ATOM 0 HH21 ARG A 252 -6.248 -8.665 -9.021 1.00 1.39 H new ATOM 0 HH22 ARG A 252 -5.252 -8.823 -10.471 1.00 1.39 H new ATOM 61 N VAL A 253 0.639 -5.262 -4.869 1.00 0.41 N ATOM 62 CA VAL A 253 1.802 -4.396 -4.678 1.00 0.46 C ATOM 63 C VAL A 253 1.709 -3.122 -5.522 1.00 0.46 C ATOM 64 O VAL A 253 1.766 -2.010 -4.996 1.00 0.46 O ATOM 65 CB VAL A 253 3.099 -5.162 -5.028 1.00 0.63 C ATOM 66 CG1 VAL A 253 2.985 -5.871 -6.373 1.00 0.73 C ATOM 67 CG2 VAL A 253 4.302 -4.232 -5.002 1.00 0.79 C ATOM 0 H VAL A 253 0.876 -6.222 -5.119 1.00 0.41 H new ATOM 0 HA VAL A 253 1.822 -4.101 -3.629 1.00 0.46 H new ATOM 0 HB VAL A 253 3.245 -5.928 -4.266 1.00 0.63 H new ATOM 0 HG11 VAL A 253 3.915 -6.399 -6.586 1.00 0.73 H new ATOM 0 HG12 VAL A 253 2.162 -6.585 -6.339 1.00 0.73 H new ATOM 0 HG13 VAL A 253 2.797 -5.137 -7.156 1.00 0.73 H new ATOM 0 HG21 VAL A 253 5.202 -4.794 -5.251 1.00 0.79 H new ATOM 0 HG22 VAL A 253 4.160 -3.433 -5.730 1.00 0.79 H new ATOM 0 HG23 VAL A 253 4.408 -3.801 -4.006 1.00 0.79 H new ATOM 77 N GLY A 254 1.559 -3.307 -6.827 1.00 0.55 N ATOM 78 CA GLY A 254 1.453 -2.184 -7.754 1.00 0.63 C ATOM 79 C GLY A 254 0.316 -1.235 -7.404 1.00 0.54 C ATOM 80 O GLY A 254 0.502 -0.018 -7.370 1.00 0.55 O ATOM 0 H GLY A 254 1.508 -4.225 -7.270 1.00 0.55 H new ATOM 0 HA2 GLY A 254 2.393 -1.632 -7.757 1.00 0.63 H new ATOM 0 HA3 GLY A 254 1.304 -2.566 -8.764 1.00 0.63 H new ATOM 84 N LEU A 255 -0.856 -1.795 -7.116 1.00 0.50 N ATOM 85 CA LEU A 255 -2.017 -0.992 -6.740 1.00 0.49 C ATOM 86 C LEU A 255 -1.757 -0.225 -5.451 1.00 0.36 C ATOM 87 O LEU A 255 -2.057 0.967 -5.350 1.00 0.38 O ATOM 88 CB LEU A 255 -3.246 -1.878 -6.561 1.00 0.58 C ATOM 89 CG LEU A 255 -4.195 -1.900 -7.751 1.00 0.78 C ATOM 90 CD1 LEU A 255 -5.398 -2.773 -7.445 1.00 0.89 C ATOM 91 CD2 LEU A 255 -4.627 -0.483 -8.100 1.00 0.88 C ATOM 0 H LEU A 255 -1.027 -2.800 -7.136 1.00 0.50 H new ATOM 0 HA LEU A 255 -2.199 -0.279 -7.544 1.00 0.49 H new ATOM 0 HB2 LEU A 255 -2.916 -2.897 -6.358 1.00 0.58 H new ATOM 0 HB3 LEU A 255 -3.795 -1.540 -5.682 1.00 0.58 H new ATOM 0 HG LEU A 255 -3.678 -2.323 -8.612 1.00 0.78 H new ATOM 0 HD11 LEU A 255 -6.070 -2.781 -8.303 1.00 0.89 H new ATOM 0 HD12 LEU A 255 -5.066 -3.790 -7.235 1.00 0.89 H new ATOM 0 HD13 LEU A 255 -5.924 -2.376 -6.577 1.00 0.89 H new ATOM 0 HD21 LEU A 255 -5.306 -0.509 -8.953 1.00 0.88 H new ATOM 0 HD22 LEU A 255 -5.135 -0.037 -7.245 1.00 0.88 H new ATOM 0 HD23 LEU A 255 -3.750 0.113 -8.353 1.00 0.88 H new ATOM 103 N GLY A 256 -1.195 -0.918 -4.469 1.00 0.28 N ATOM 104 CA GLY A 256 -0.897 -0.299 -3.196 1.00 0.27 C ATOM 105 C GLY A 256 0.115 0.827 -3.313 1.00 0.27 C ATOM 106 O GLY A 256 -0.134 1.936 -2.838 1.00 0.30 O ATOM 0 H GLY A 256 -0.940 -1.903 -4.534 1.00 0.28 H new ATOM 0 HA2 GLY A 256 -1.818 0.090 -2.762 1.00 0.27 H new ATOM 0 HA3 GLY A 256 -0.515 -1.055 -2.510 1.00 0.27 H new ATOM 110 N ILE A 257 1.255 0.559 -3.959 1.00 0.34 N ATOM 111 CA ILE A 257 2.282 1.590 -4.129 1.00 0.46 C ATOM 112 C ILE A 257 1.755 2.759 -4.966 1.00 0.43 C ATOM 113 O ILE A 257 2.052 3.918 -4.676 1.00 0.46 O ATOM 114 CB ILE A 257 3.604 1.036 -4.727 1.00 0.64 C ATOM 115 CG1 ILE A 257 3.397 0.417 -6.114 1.00 0.69 C ATOM 116 CG2 ILE A 257 4.220 0.016 -3.783 1.00 0.73 C ATOM 117 CD1 ILE A 257 3.750 1.345 -7.259 1.00 0.82 C ATOM 0 H ILE A 257 1.487 -0.347 -4.366 1.00 0.34 H new ATOM 0 HA ILE A 257 2.520 1.954 -3.129 1.00 0.46 H new ATOM 0 HB ILE A 257 4.286 1.878 -4.846 1.00 0.64 H new ATOM 0 HG12 ILE A 257 4.002 -0.487 -6.192 1.00 0.69 H new ATOM 0 HG13 ILE A 257 2.355 0.113 -6.214 1.00 0.69 H new ATOM 0 HG21 ILE A 257 5.146 -0.365 -4.213 1.00 0.73 H new ATOM 0 HG22 ILE A 257 4.433 0.489 -2.825 1.00 0.73 H new ATOM 0 HG23 ILE A 257 3.523 -0.809 -3.633 1.00 0.73 H new ATOM 0 HD11 ILE A 257 3.577 0.835 -8.207 1.00 0.82 H new ATOM 0 HD12 ILE A 257 3.128 2.238 -7.208 1.00 0.82 H new ATOM 0 HD13 ILE A 257 4.800 1.630 -7.186 1.00 0.82 H new ATOM 129 N THR A 258 0.944 2.455 -5.985 1.00 0.42 N ATOM 130 CA THR A 258 0.357 3.498 -6.828 1.00 0.47 C ATOM 131 C THR A 258 -0.593 4.364 -6.003 1.00 0.38 C ATOM 132 O THR A 258 -0.593 5.590 -6.118 1.00 0.41 O ATOM 133 CB THR A 258 -0.410 2.910 -8.034 1.00 0.56 C ATOM 134 OG1 THR A 258 0.465 2.100 -8.825 1.00 0.67 O ATOM 135 CG2 THR A 258 -0.999 4.011 -8.904 1.00 0.70 C ATOM 0 H THR A 258 0.682 1.504 -6.243 1.00 0.42 H new ATOM 0 HA THR A 258 1.179 4.101 -7.213 1.00 0.47 H new ATOM 0 HB THR A 258 -1.226 2.301 -7.644 1.00 0.56 H new ATOM 0 HG1 THR A 258 0.612 1.242 -8.375 1.00 0.67 H new ATOM 0 HG21 THR A 258 -1.532 3.565 -9.744 1.00 0.70 H new ATOM 0 HG22 THR A 258 -1.690 4.611 -8.313 1.00 0.70 H new ATOM 0 HG23 THR A 258 -0.197 4.646 -9.280 1.00 0.70 H new ATOM 143 N THR A 259 -1.386 3.716 -5.149 1.00 0.31 N ATOM 144 CA THR A 259 -2.325 4.425 -4.280 1.00 0.31 C ATOM 145 C THR A 259 -1.563 5.331 -3.314 1.00 0.29 C ATOM 146 O THR A 259 -1.901 6.506 -3.153 1.00 0.33 O ATOM 147 CB THR A 259 -3.211 3.448 -3.475 1.00 0.38 C ATOM 148 OG1 THR A 259 -3.888 2.553 -4.366 1.00 0.46 O ATOM 149 CG2 THR A 259 -4.241 4.199 -2.644 1.00 0.52 C ATOM 0 H THR A 259 -1.397 2.702 -5.041 1.00 0.31 H new ATOM 0 HA THR A 259 -2.974 5.024 -4.919 1.00 0.31 H new ATOM 0 HB THR A 259 -2.563 2.884 -2.804 1.00 0.38 H new ATOM 0 HG1 THR A 259 -3.251 1.895 -4.715 1.00 0.46 H new ATOM 0 HG21 THR A 259 -4.850 3.486 -2.088 1.00 0.52 H new ATOM 0 HG22 THR A 259 -3.731 4.863 -1.946 1.00 0.52 H new ATOM 0 HG23 THR A 259 -4.881 4.787 -3.302 1.00 0.52 H new ATOM 157 N VAL A 260 -0.511 4.784 -2.697 1.00 0.31 N ATOM 158 CA VAL A 260 0.321 5.552 -1.776 1.00 0.39 C ATOM 159 C VAL A 260 0.937 6.751 -2.496 1.00 0.40 C ATOM 160 O VAL A 260 0.859 7.878 -2.012 1.00 0.45 O ATOM 161 CB VAL A 260 1.441 4.683 -1.160 1.00 0.49 C ATOM 162 CG1 VAL A 260 2.361 5.524 -0.286 1.00 0.67 C ATOM 163 CG2 VAL A 260 0.847 3.537 -0.355 1.00 0.50 C ATOM 0 H VAL A 260 -0.219 3.815 -2.821 1.00 0.31 H new ATOM 0 HA VAL A 260 -0.320 5.901 -0.967 1.00 0.39 H new ATOM 0 HB VAL A 260 2.032 4.265 -1.975 1.00 0.49 H new ATOM 0 HG11 VAL A 260 3.141 4.890 0.136 1.00 0.67 H new ATOM 0 HG12 VAL A 260 2.818 6.309 -0.889 1.00 0.67 H new ATOM 0 HG13 VAL A 260 1.784 5.975 0.521 1.00 0.67 H new ATOM 0 HG21 VAL A 260 1.651 2.936 0.071 1.00 0.50 H new ATOM 0 HG22 VAL A 260 0.229 3.938 0.448 1.00 0.50 H new ATOM 0 HG23 VAL A 260 0.235 2.914 -1.007 1.00 0.50 H new ATOM 173 N LEU A 261 1.516 6.506 -3.673 1.00 0.40 N ATOM 174 CA LEU A 261 2.111 7.574 -4.476 1.00 0.47 C ATOM 175 C LEU A 261 1.061 8.628 -4.828 1.00 0.42 C ATOM 176 O LEU A 261 1.308 9.828 -4.717 1.00 0.49 O ATOM 177 CB LEU A 261 2.719 7.002 -5.758 1.00 0.55 C ATOM 178 CG LEU A 261 4.248 7.022 -5.826 1.00 0.73 C ATOM 179 CD1 LEU A 261 4.767 8.453 -5.796 1.00 1.10 C ATOM 180 CD2 LEU A 261 4.853 6.211 -4.689 1.00 1.20 C ATOM 0 H LEU A 261 1.585 5.578 -4.090 1.00 0.40 H new ATOM 0 HA LEU A 261 2.899 8.044 -3.888 1.00 0.47 H new ATOM 0 HB2 LEU A 261 2.381 5.972 -5.872 1.00 0.55 H new ATOM 0 HB3 LEU A 261 2.327 7.562 -6.607 1.00 0.55 H new ATOM 0 HG LEU A 261 4.551 6.564 -6.768 1.00 0.73 H new ATOM 0 HD11 LEU A 261 5.856 8.446 -5.845 1.00 1.10 H new ATOM 0 HD12 LEU A 261 4.369 9.002 -6.649 1.00 1.10 H new ATOM 0 HD13 LEU A 261 4.449 8.936 -4.872 1.00 1.10 H new ATOM 0 HD21 LEU A 261 5.940 6.241 -4.759 1.00 1.20 H new ATOM 0 HD22 LEU A 261 4.539 6.633 -3.734 1.00 1.20 H new ATOM 0 HD23 LEU A 261 4.513 5.178 -4.758 1.00 1.20 H new ATOM 192 N THR A 262 -0.114 8.160 -5.238 1.00 0.36 N ATOM 193 CA THR A 262 -1.225 9.045 -5.596 1.00 0.40 C ATOM 194 C THR A 262 -1.620 9.952 -4.425 1.00 0.40 C ATOM 195 O THR A 262 -1.758 11.164 -4.583 1.00 0.47 O ATOM 196 CB THR A 262 -2.462 8.231 -6.038 1.00 0.43 C ATOM 197 OG1 THR A 262 -2.141 7.419 -7.175 1.00 0.49 O ATOM 198 CG2 THR A 262 -3.629 9.146 -6.378 1.00 0.55 C ATOM 0 H THR A 262 -0.325 7.167 -5.332 1.00 0.36 H new ATOM 0 HA THR A 262 -0.881 9.664 -6.425 1.00 0.40 H new ATOM 0 HB THR A 262 -2.755 7.591 -5.206 1.00 0.43 H new ATOM 0 HG1 THR A 262 -1.851 6.533 -6.873 1.00 0.49 H new ATOM 0 HG21 THR A 262 -4.485 8.545 -6.686 1.00 0.55 H new ATOM 0 HG22 THR A 262 -3.896 9.736 -5.501 1.00 0.55 H new ATOM 0 HG23 THR A 262 -3.343 9.813 -7.191 1.00 0.55 H new ATOM 206 N MET A 263 -1.810 9.364 -3.249 1.00 0.38 N ATOM 207 CA MET A 263 -2.195 10.142 -2.069 1.00 0.45 C ATOM 208 C MET A 263 -1.040 10.998 -1.516 1.00 0.47 C ATOM 209 O MET A 263 -1.274 12.081 -0.983 1.00 0.55 O ATOM 210 CB MET A 263 -2.750 9.228 -0.966 1.00 0.52 C ATOM 211 CG MET A 263 -1.752 8.210 -0.435 1.00 0.56 C ATOM 212 SD MET A 263 -2.386 7.268 0.964 1.00 0.73 S ATOM 213 CE MET A 263 -3.822 6.485 0.237 1.00 0.86 C ATOM 0 H MET A 263 -1.706 8.363 -3.084 1.00 0.38 H new ATOM 0 HA MET A 263 -2.978 10.827 -2.395 1.00 0.45 H new ATOM 0 HB2 MET A 263 -3.096 9.847 -0.138 1.00 0.52 H new ATOM 0 HB3 MET A 263 -3.620 8.698 -1.353 1.00 0.52 H new ATOM 0 HG2 MET A 263 -1.481 7.522 -1.236 1.00 0.56 H new ATOM 0 HG3 MET A 263 -0.840 8.726 -0.135 1.00 0.56 H new ATOM 0 HE1 MET A 263 -4.727 6.898 0.683 1.00 0.86 H new ATOM 0 HE2 MET A 263 -3.831 6.668 -0.838 1.00 0.86 H new ATOM 0 HE3 MET A 263 -3.784 5.412 0.422 1.00 0.86 H new ATOM 223 N THR A 264 0.201 10.505 -1.602 1.00 0.45 N ATOM 224 CA THR A 264 1.349 11.251 -1.057 1.00 0.52 C ATOM 225 C THR A 264 1.862 12.366 -1.976 1.00 0.50 C ATOM 226 O THR A 264 2.608 13.232 -1.516 1.00 0.54 O ATOM 227 CB THR A 264 2.546 10.342 -0.691 1.00 0.60 C ATOM 228 OG1 THR A 264 3.522 11.105 0.033 1.00 0.67 O ATOM 229 CG2 THR A 264 3.203 9.752 -1.930 1.00 0.61 C ATOM 0 H THR A 264 0.437 9.612 -2.034 1.00 0.45 H new ATOM 0 HA THR A 264 0.942 11.704 -0.153 1.00 0.52 H new ATOM 0 HB THR A 264 2.167 9.523 -0.079 1.00 0.60 H new ATOM 0 HG1 THR A 264 3.427 12.054 -0.191 1.00 0.67 H new ATOM 0 HG21 THR A 264 4.039 9.120 -1.632 1.00 0.61 H new ATOM 0 HG22 THR A 264 2.474 9.155 -2.479 1.00 0.61 H new ATOM 0 HG23 THR A 264 3.567 10.558 -2.568 1.00 0.61 H new ATOM 237 N THR A 265 1.493 12.354 -3.260 1.00 0.53 N ATOM 238 CA THR A 265 1.965 13.391 -4.194 1.00 0.56 C ATOM 239 C THR A 265 1.237 14.728 -3.976 1.00 0.50 C ATOM 240 O THR A 265 0.741 15.364 -4.910 1.00 0.56 O ATOM 241 CB THR A 265 1.855 12.950 -5.677 1.00 0.67 C ATOM 242 OG1 THR A 265 2.373 13.973 -6.536 1.00 0.74 O ATOM 243 CG2 THR A 265 0.420 12.633 -6.072 1.00 0.71 C ATOM 0 H THR A 265 0.880 11.653 -3.675 1.00 0.53 H new ATOM 0 HA THR A 265 3.023 13.536 -3.973 1.00 0.56 H new ATOM 0 HB THR A 265 2.443 12.039 -5.789 1.00 0.67 H new ATOM 0 HG1 THR A 265 1.886 14.809 -6.379 1.00 0.74 H new ATOM 0 HG21 THR A 265 0.389 12.329 -7.118 1.00 0.71 H new ATOM 0 HG22 THR A 265 0.041 11.824 -5.447 1.00 0.71 H new ATOM 0 HG23 THR A 265 -0.200 13.519 -5.934 1.00 0.71 H new ATOM 251 N GLN A 266 1.200 15.151 -2.720 1.00 0.46 N ATOM 252 CA GLN A 266 0.566 16.405 -2.322 1.00 0.50 C ATOM 253 C GLN A 266 1.438 17.603 -2.707 1.00 0.51 C ATOM 254 O GLN A 266 2.003 18.275 -1.842 1.00 0.53 O ATOM 255 CB GLN A 266 0.327 16.401 -0.813 1.00 0.53 C ATOM 256 CG GLN A 266 -0.548 15.257 -0.331 1.00 0.57 C ATOM 257 CD GLN A 266 -0.666 15.216 1.179 1.00 0.59 C ATOM 258 OE1 GLN A 266 0.323 15.051 1.889 1.00 0.66 O ATOM 259 NE2 GLN A 266 -1.875 15.374 1.684 1.00 0.73 N ATOM 0 H GLN A 266 1.610 14.633 -1.943 1.00 0.46 H new ATOM 0 HA GLN A 266 -0.387 16.494 -2.844 1.00 0.50 H new ATOM 0 HB2 GLN A 266 1.289 16.349 -0.303 1.00 0.53 H new ATOM 0 HB3 GLN A 266 -0.136 17.345 -0.526 1.00 0.53 H new ATOM 0 HG2 GLN A 266 -1.542 15.355 -0.768 1.00 0.57 H new ATOM 0 HG3 GLN A 266 -0.135 14.313 -0.686 1.00 0.57 H new ATOM 0 HE21 GLN A 266 -2.673 15.509 1.064 1.00 0.73 H new ATOM 0 HE22 GLN A 266 -2.011 15.361 2.695 1.00 0.73 H new ATOM 268 N SER A 267 1.559 17.845 -4.013 1.00 0.62 N ATOM 269 CA SER A 267 2.380 18.943 -4.539 1.00 0.70 C ATOM 270 C SER A 267 3.854 18.737 -4.185 1.00 0.57 C ATOM 271 O SER A 267 4.548 19.673 -3.788 1.00 0.58 O ATOM 272 CB SER A 267 1.896 20.299 -4.010 1.00 0.82 C ATOM 273 OG SER A 267 0.552 20.546 -4.386 1.00 1.05 O ATOM 0 H SER A 267 1.095 17.291 -4.734 1.00 0.62 H new ATOM 0 HA SER A 267 2.277 18.941 -5.624 1.00 0.70 H new ATOM 0 HB2 SER A 267 1.982 20.320 -2.924 1.00 0.82 H new ATOM 0 HB3 SER A 267 2.536 21.092 -4.396 1.00 0.82 H new ATOM 0 HG SER A 267 0.269 21.416 -4.034 1.00 1.05 H new ATOM 279 N SER A 268 4.315 17.493 -4.325 1.00 0.54 N ATOM 280 CA SER A 268 5.700 17.129 -4.018 1.00 0.53 C ATOM 281 C SER A 268 6.694 17.896 -4.892 1.00 0.66 C ATOM 282 O SER A 268 7.737 18.350 -4.409 1.00 0.70 O ATOM 283 CB SER A 268 5.901 15.620 -4.198 1.00 0.62 C ATOM 284 OG SER A 268 5.012 14.880 -3.372 1.00 0.56 O ATOM 0 H SER A 268 3.744 16.714 -4.652 1.00 0.54 H new ATOM 0 HA SER A 268 5.890 17.400 -2.980 1.00 0.53 H new ATOM 0 HB2 SER A 268 5.740 15.351 -5.242 1.00 0.62 H new ATOM 0 HB3 SER A 268 6.931 15.356 -3.956 1.00 0.62 H new ATOM 0 HG SER A 268 5.122 15.161 -2.440 1.00 0.56 H new ATOM 290 N GLY A 269 6.360 18.042 -6.175 1.00 0.81 N ATOM 291 CA GLY A 269 7.220 18.759 -7.112 1.00 0.97 C ATOM 292 C GLY A 269 7.195 20.270 -6.915 1.00 0.97 C ATOM 293 O GLY A 269 6.832 21.016 -7.822 1.00 1.45 O ATOM 0 H GLY A 269 5.502 17.674 -6.586 1.00 0.81 H new ATOM 0 HA2 GLY A 269 8.244 18.402 -7.002 1.00 0.97 H new ATOM 0 HA3 GLY A 269 6.909 18.527 -8.131 1.00 0.97 H new ATOM 297 N SER A 270 7.579 20.714 -5.725 1.00 0.73 N ATOM 298 CA SER A 270 7.603 22.139 -5.394 1.00 0.75 C ATOM 299 C SER A 270 8.741 22.449 -4.419 1.00 0.76 C ATOM 300 O SER A 270 9.526 23.369 -4.639 1.00 1.12 O ATOM 301 CB SER A 270 6.262 22.566 -4.786 1.00 0.71 C ATOM 302 OG SER A 270 5.973 21.824 -3.611 1.00 0.59 O ATOM 0 H SER A 270 7.881 20.104 -4.965 1.00 0.73 H new ATOM 0 HA SER A 270 7.771 22.700 -6.313 1.00 0.75 H new ATOM 0 HB2 SER A 270 6.289 23.630 -4.550 1.00 0.71 H new ATOM 0 HB3 SER A 270 5.466 22.421 -5.516 1.00 0.71 H new ATOM 0 HG SER A 270 5.719 20.910 -3.856 1.00 0.59 H new ATOM 308 N ARG A 271 8.827 21.664 -3.346 1.00 0.60 N ATOM 309 CA ARG A 271 9.874 21.842 -2.340 1.00 0.71 C ATOM 310 C ARG A 271 10.059 20.553 -1.527 1.00 0.69 C ATOM 311 O ARG A 271 10.128 20.584 -0.297 1.00 0.77 O ATOM 312 CB ARG A 271 9.539 23.018 -1.411 1.00 0.78 C ATOM 313 CG ARG A 271 10.765 23.631 -0.745 1.00 1.16 C ATOM 314 CD ARG A 271 10.402 24.810 0.145 1.00 1.32 C ATOM 315 NE ARG A 271 9.670 24.402 1.342 1.00 1.09 N ATOM 316 CZ ARG A 271 9.345 25.224 2.319 1.00 1.25 C ATOM 317 NH1 ARG A 271 9.667 26.491 2.253 1.00 1.60 N ATOM 318 NH2 ARG A 271 8.700 24.778 3.365 1.00 1.36 N ATOM 0 H ARG A 271 8.183 20.897 -3.150 1.00 0.60 H new ATOM 0 HA ARG A 271 10.809 22.067 -2.854 1.00 0.71 H new ATOM 0 HB2 ARG A 271 9.023 23.788 -1.984 1.00 0.78 H new ATOM 0 HB3 ARG A 271 8.848 22.677 -0.640 1.00 0.78 H new ATOM 0 HG2 ARG A 271 11.272 22.871 -0.151 1.00 1.16 H new ATOM 0 HG3 ARG A 271 11.468 23.958 -1.511 1.00 1.16 H new ATOM 0 HD2 ARG A 271 11.312 25.332 0.440 1.00 1.32 H new ATOM 0 HD3 ARG A 271 9.798 25.518 -0.423 1.00 1.32 H new ATOM 0 HE ARG A 271 9.395 23.424 1.426 1.00 1.09 H new ATOM 0 HH11 ARG A 271 10.172 26.847 1.442 1.00 1.60 H new ATOM 0 HH12 ARG A 271 9.412 27.122 3.013 1.00 1.60 H new ATOM 0 HH21 ARG A 271 8.447 23.792 3.426 1.00 1.36 H new ATOM 0 HH22 ARG A 271 8.450 25.416 4.120 1.00 1.36 H new ATOM 332 N ALA A 272 10.135 19.421 -2.241 1.00 0.69 N ATOM 333 CA ALA A 272 10.312 18.099 -1.625 1.00 0.73 C ATOM 334 C ALA A 272 9.155 17.733 -0.685 1.00 0.58 C ATOM 335 O ALA A 272 9.371 17.273 0.438 1.00 0.66 O ATOM 336 CB ALA A 272 11.646 18.023 -0.889 1.00 0.95 C ATOM 0 H ALA A 272 10.076 19.396 -3.259 1.00 0.69 H new ATOM 0 HA ALA A 272 10.312 17.367 -2.433 1.00 0.73 H new ATOM 0 HB1 ALA A 272 11.758 17.036 -0.440 1.00 0.95 H new ATOM 0 HB2 ALA A 272 12.460 18.196 -1.593 1.00 0.95 H new ATOM 0 HB3 ALA A 272 11.674 18.783 -0.108 1.00 0.95 H new ATOM 342 N SER A 273 7.925 17.932 -1.152 1.00 0.44 N ATOM 343 CA SER A 273 6.737 17.613 -0.349 1.00 0.38 C ATOM 344 C SER A 273 6.441 16.121 -0.350 1.00 0.40 C ATOM 345 O SER A 273 5.400 15.675 -0.834 1.00 0.49 O ATOM 346 CB SER A 273 5.509 18.377 -0.843 1.00 0.40 C ATOM 347 OG SER A 273 5.793 19.755 -1.019 1.00 0.55 O ATOM 0 H SER A 273 7.720 18.310 -2.077 1.00 0.44 H new ATOM 0 HA SER A 273 6.959 17.923 0.672 1.00 0.38 H new ATOM 0 HB2 SER A 273 5.169 17.951 -1.787 1.00 0.40 H new ATOM 0 HB3 SER A 273 4.694 18.260 -0.128 1.00 0.40 H new ATOM 0 HG SER A 273 5.466 20.047 -1.896 1.00 0.55 H new ATOM 353 N LEU A 274 7.350 15.356 0.230 1.00 0.47 N ATOM 354 CA LEU A 274 7.172 13.919 0.342 1.00 0.54 C ATOM 355 C LEU A 274 7.341 13.454 1.807 1.00 0.59 C ATOM 356 O LEU A 274 7.996 12.440 2.060 1.00 0.73 O ATOM 357 CB LEU A 274 8.175 13.199 -0.568 1.00 0.75 C ATOM 358 CG LEU A 274 7.866 11.725 -0.851 1.00 0.88 C ATOM 359 CD1 LEU A 274 6.583 11.591 -1.657 1.00 0.91 C ATOM 360 CD2 LEU A 274 9.028 11.070 -1.581 1.00 1.14 C ATOM 0 H LEU A 274 8.220 15.707 0.631 1.00 0.47 H new ATOM 0 HA LEU A 274 6.160 13.668 0.025 1.00 0.54 H new ATOM 0 HB2 LEU A 274 8.225 13.731 -1.518 1.00 0.75 H new ATOM 0 HB3 LEU A 274 9.164 13.265 -0.114 1.00 0.75 H new ATOM 0 HG LEU A 274 7.725 11.214 0.101 1.00 0.88 H new ATOM 0 HD11 LEU A 274 6.381 10.537 -1.847 1.00 0.91 H new ATOM 0 HD12 LEU A 274 5.754 12.024 -1.096 1.00 0.91 H new ATOM 0 HD13 LEU A 274 6.693 12.116 -2.606 1.00 0.91 H new ATOM 0 HD21 LEU A 274 8.793 10.023 -1.774 1.00 1.14 H new ATOM 0 HD22 LEU A 274 9.200 11.584 -2.527 1.00 1.14 H new ATOM 0 HD23 LEU A 274 9.926 11.132 -0.966 1.00 1.14 H new ATOM 372 N PRO A 275 6.756 14.181 2.806 1.00 0.59 N ATOM 373 CA PRO A 275 6.870 13.807 4.234 1.00 0.76 C ATOM 374 C PRO A 275 6.459 12.359 4.527 1.00 0.80 C ATOM 375 O PRO A 275 5.502 11.841 3.939 1.00 0.75 O ATOM 376 CB PRO A 275 5.903 14.771 4.924 1.00 0.87 C ATOM 377 CG PRO A 275 5.910 15.965 4.046 1.00 0.79 C ATOM 378 CD PRO A 275 5.948 15.420 2.650 1.00 0.55 C ATOM 0 HA PRO A 275 7.903 13.872 4.575 1.00 0.76 H new ATOM 0 HB2 PRO A 275 4.904 14.343 5.010 1.00 0.87 H new ATOM 0 HB3 PRO A 275 6.233 15.015 5.934 1.00 0.87 H new ATOM 0 HG2 PRO A 275 5.023 16.578 4.206 1.00 0.79 H new ATOM 0 HG3 PRO A 275 6.775 16.597 4.247 1.00 0.79 H new ATOM 0 HD2 PRO A 275 4.949 15.207 2.271 1.00 0.55 H new ATOM 0 HD3 PRO A 275 6.410 16.120 1.954 1.00 0.55 H new ATOM 386 N LYS A 276 7.185 11.714 5.439 1.00 0.98 N ATOM 387 CA LYS A 276 6.906 10.326 5.825 1.00 1.09 C ATOM 388 C LYS A 276 7.118 10.124 7.327 1.00 1.29 C ATOM 389 O LYS A 276 7.853 10.936 7.933 1.00 1.38 O ATOM 390 CB LYS A 276 7.804 9.354 5.048 1.00 1.15 C ATOM 391 CG LYS A 276 7.456 9.245 3.574 1.00 1.05 C ATOM 392 CD LYS A 276 6.063 8.670 3.373 1.00 1.01 C ATOM 393 CE LYS A 276 5.567 8.908 1.959 1.00 0.93 C ATOM 394 NZ LYS A 276 5.482 10.361 1.647 1.00 0.78 N ATOM 395 OXT LYS A 276 6.549 9.160 7.881 1.00 1.43 O ATOM 0 H LYS A 276 7.976 12.131 5.929 1.00 0.98 H new ATOM 0 HA LYS A 276 5.863 10.120 5.583 1.00 1.09 H new ATOM 0 HB2 LYS A 276 8.841 9.676 5.144 1.00 1.15 H new ATOM 0 HB3 LYS A 276 7.733 8.366 5.503 1.00 1.15 H new ATOM 0 HG2 LYS A 276 7.515 10.230 3.111 1.00 1.05 H new ATOM 0 HG3 LYS A 276 8.188 8.613 3.072 1.00 1.05 H new ATOM 0 HD2 LYS A 276 6.075 7.600 3.581 1.00 1.01 H new ATOM 0 HD3 LYS A 276 5.373 9.125 4.084 1.00 1.01 H new ATOM 0 HE2 LYS A 276 6.238 8.421 1.251 1.00 0.93 H new ATOM 0 HE3 LYS A 276 4.586 8.450 1.835 1.00 0.93 H new ATOM 0 HZ1 LYS A 276 4.911 10.499 0.788 1.00 0.78 H new ATOM 0 HZ2 LYS A 276 5.037 10.861 2.443 1.00 0.78 H new ATOM 0 HZ3 LYS A 276 6.438 10.739 1.492 1.00 0.78 H new TER 409 LYS A 276